1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide

C22H28N2O4S — CID 55674924

IUPAC1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-2-29(26,27)24-15-12-19(13-16-24)22(25)23-20-10-6-7-11-21(20)28-17-14-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,23,25)
InChIKeyMLUUYOJFQYUGIY-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.31
Rot. Bonds8

About 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 55674924) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
PubChem CID55674924
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-2-29(26,27)24-15-12-19(13-16-24)22(25)23-20-10-6-7-11-21(20)28-17-14-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,23,25)
InChIKeyMLUUYOJFQYUGIY-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 55931737
N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 154888171
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28570527
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-propoxyphenyl)piperidine-4-carboxamide
CID 55415209
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55675150

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (CID 55674924) is 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2OCCc2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is MLUUYOJFQYUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-29(26,27)24-15-12-19(13-16-24)22(25)23-20-10-6-7-11-21(20)28-17-14-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,23,25).
What are the key properties of 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55674924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).